Force zeroing makes simulations ~3x slower #3
Description
Simulation output without force zeroing:
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 969.5 | 1129.7 | 1327.6 | 309.1 | 56.47
Neigh | 0.62544 | 3.8704 | 11.092 | 155.0 | 0.19
Comm | 632.95 | 828.91 | 986.48 | 354.2 | 41.43
Output | 0.28092 | 0.38764 | 1.004 | 21.9 | 0.02
Modify | 35.885 | 36.37 | 36.85 | 4.3 | 1.82
Other | | 1.4 | | | 0.07
Nlocal: 341.375 ave 1122 max 61 min
Histogram: 8 6 3 1 2 0 2 0 0 2
Nghost: 2249 ave 3797 max 1264 min
Histogram: 4 2 4 4 4 1 1 2 0 2
Neighs: 14575.1 ave 47792 max 2615 min
Histogram: 8 6 3 1 2 0 2 0 0 2
FullNghs: 29150.2 ave 95584 max 5226 min
Histogram: 8 6 3 1 2 0 2 0 0 2
Total # of neighbors = 699606
Ave neighs/atom = 85.390699
Neighbor list builds = 2000
Dangerous builds = 0
Total wall time: 0:37:25
Simulation output with force zeroing:
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 4699.1 | 4699.8 | 4700.4 | 0.5 | 99.26
Neigh | 3.1775 | 3.7149 | 4.374 | 15.3 | 0.08
Comm | 2.1329 | 2.3152 | 2.4496 | 5.1 | 0.05
Output | 0.19184 | 0.24443 | 0.62847 | 16.7 | 0.01
Modify | 27.611 | 27.86 | 28.046 | 1.9 | 0.59
Other | | 0.7336 | | | 0.02
Nlocal: 341.375 ave 412 max 291 min
Histogram: 2 3 3 4 3 5 2 1 0 1
Nghost: 2183.46 ave 2381 max 2009 min
Histogram: 2 0 6 0 8 0 2 4 0 2
Neighs: 14571.8 ave 17672 max 12338 min
Histogram: 2 2 3 5 3 4 3 1 0 1
FullNghs: 29143.5 ave 35184 max 24804 min
Histogram: 2 2 4 4 3 3 4 1 0 1
Total # of neighbors = 699444
Ave neighs/atom = 85.370926
Neighbor list builds = 2000
Dangerous builds = 0
Total wall time: 1:27:07